1,1-dimethyl-3-(4-propan-2-ylphenyl)urea

C12H18N2O

CAS34123-59-6
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
34123-59-6
EC Number
251-835-4
UN Number
3077
Index Number
006-044-00-7
PubChem CID
36679

Physical-chemical properties

Molecular Formula
C12H18N2O
Molar Mass
206.28 g/mol
IUPAC Name
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea

Chemical Identifiers

InChI
InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
InChI Key
PUIYMUZLKQOUOZ-UHFFFAOYSA-N

Overview

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea (CAS 34123-59-6) is an aromatic urea derivative with substituted phenyl and dimethyl functional groups used in specialized industrial applications. This organic compound, also known by its EC number 251-835-4, belongs to the family of N,N-disubstituted phenylureas, characterized by its molecular formula C12H18N2O and molecular weight of 206.28 g/mol. The structure features a central urea moiety (-NH-CO-N-) with two methyl groups attached to one nitrogen atom and a para-isopropylphenyl group attached to the other nitrogen, creating a compound with distinct chemical and biological properties. The substance presents significant safety considerations, classified as a Category 2 carcinogen and Category 2 specific target organ toxicant following repeated exposure. Environmental hazards are particularly notable, with classifications for both acute and chronic aquatic toxicity (Category 1), requiring careful handling and disposal protocols. The GHS08 health hazard and GHS09 environmental pictogrammes reflect these concerns, while the ADR Class 9 designation indicates miscellaneous dangerous goods classification for transport purposes. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications where controlled urea derivatives are required. The compound's structural similarity to other carbamate compounds like propan-2-yl N-(3-chlorophenyl)carbamate makes it valuable in comparative studies and specialized synthetic pathways. Professional handling requires appropriate personal protective equipment and environmental controls due to its hazard profile. OYSI maintains technical-grade 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea in compliance with European chemical regulations, supporting customers across pharmaceutical, research, and specialty chemical sectors with comprehensive safety documentation and technical support.

Safety & Classification

Warning
Classification:

Carc. 2; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H373

May cause damage to organs through prolonged or repeated exposure.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameIsoproturon (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea is an organic chemical compound with the molecular formula C12H18N2O and CAS number 34123-59-6. This urea derivative has a molecular weight of 206.28 g/mol and features a substituted phenyl ring with an isopropyl group. The compound is classified as a suspected carcinogen (Category 2) and poses environmental hazards to aquatic life, requiring careful handling in industrial applications.

What are the physicochemical properties of 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea is a solid organic compound at room temperature with a molecular weight of 206.28 g/mol. As a urea derivative containing both aromatic and aliphatic components, it typically exhibits moderate polarity. The presence of the isopropyl-substituted phenyl ring influences its solubility characteristics. Specific physical properties such as melting point, boiling point, and exact solubility data should be confirmed through technical datasheets for precise applications.

What is 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea used for?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its urea structure makes it valuable in the production of specialized compounds requiring specific substitution patterns. The compound may also serve as a research chemical in academic and industrial laboratories for developing new materials or active ingredients. Given its hazard classification, its use is typically restricted to professional industrial applications with appropriate safety measures.

How to handle 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea safely?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea requires careful handling due to its suspected carcinogenic properties (Carc. 2) and potential for organ damage (STOT RE 2). Workers must wear appropriate personal protective equipment including gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin contact and ingestion, and ensure proper hygiene practices including thorough handwashing after handling.

How to store 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea correctly?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled with GHS pictograms (GHS08, GHS09). Storage areas should be secure and accessible only to trained personnel due to the compound's carcinogenic classification. Implement appropriate spill containment measures and ensure storage complies with local regulations for hazardous substances, particularly given its environmental hazard classification.

What to do in case of contact with 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea?

In case of skin contact with 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea, immediately remove contaminated clothing and rinse the affected area with plenty of water for at least 15 minutes. For eye contact, flush eyes with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move the person to fresh air and seek medical attention if respiratory irritation occurs. In case of ingestion, do not induce vomiting and seek immediate medical attention while providing the safety data sheet.

How to dispose of 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea properly?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea must be disposed of as hazardous waste through licensed waste management companies due to its carcinogenic classification and environmental hazards. Never dispose of this substance in regular trash or pour it down drains, as it poses risks to aquatic environments (Aquatic Acute 1, Aquatic Chronic 1). Disposal must comply with local and national regulations for hazardous chemicals. Contact specialized waste disposal services and provide them with the safety data sheet for proper treatment.

How to transport 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification indicates it presents a moderate danger during transport. Packages must be properly labeled with appropriate hazard markings and accompanied by transport documents. Use approved packaging materials and ensure compliance with international transport regulations (ADR/RID for road/rail, IMDG for sea, IATA for air transport). Professional transport companies experienced in hazardous materials should handle shipments.

Is 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea subject to specific regulations?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification for hazard communication. While not currently listed as an SVHC (Substance of Very High Concern), its Carc. 2 classification means it falls under carcinogen regulations requiring special handling procedures. Companies must comply with occupational health and safety regulations, environmental protection laws, and proper labeling requirements including GHS pictograms (GHS08, GHS09) and warning signals.

Where to buy 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea in Europe?

1,1-dimethyl-3-(4-propan-2-ylphenyl)urea is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial customers who can demonstrate appropriate handling capabilities and safety measures due to its hazardous classification. As a professional chemical distributor, OYSI ensures proper documentation, safety data sheets, and regulatory compliance for European markets. Contact OYSI directly for availability, specifications, and purchasing requirements for this regulated substance.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.